ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

50906755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-propylpiperidine-1-carbonyl)piperidine-3-carboxylic (3S)-1-(4-propylpiperidine-1-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	8.64	-52.29	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

50906757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-propylpiperidine-1-carbonyl)piperidine-3-carboxylic (3R)-1-(4-propylpiperidine-1-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	8.53	-54.24	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

50906762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-propylpiperidine-1-carbonyl)piperidine-4-carboxylic 1-(4-propylpiperidine-1-carbonyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	8.61	-50.36	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

50906842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic (2R)-1-(4-propylpiperidine-1-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	9.14	-66.52	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

50906844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic (2S)-1-(4-propylpiperidine-1-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	9.14	-59.27	0	5	-1	64	281.376	3	↓ MOL2 SDF SMILES Flexibase

50906921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(4-propylpiperidine-1-carbonyl)-2-piperidyl]acetic 2-[(2R)-1-(4-propylpiperidine-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	9.91	-66.28	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

50906923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(4-propylpiperidine-1-carbonyl)-2-piperidyl]acetic 2-[(2S)-1-(4-propylpiperidine-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	9.49	-63.64	0	5	-1	64	295.403	4	↓ MOL2 SDF SMILES Flexibase

37083719

Analogs

52296222
52296225
52296229
52296230
412817

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-4-carboxylic 1-[(2S)-2-ethylpiperidine-1-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	7.73	-50.09	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

37083720

Analogs

42782796
42782797
42782798
42782799
19981613

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-2-ethylpiperidine-1-carbonyl]piperidine-3-carboxylic (3S)-1-[(2R)-2-ethylpiperidine-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	7.38	-52.79	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

37083721

Analogs

42782796
42782797
42782798
42782799
19981613

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-3-carboxylic (3S)-1-[(2S)-2-ethylpiperidine-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	7.43	-53.91	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

37083722

Analogs

42782796
42782797
42782798
42782799
19981613

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-2-ethylpiperidine-1-carbonyl]piperidine-3-carboxylic (3R)-1-[(2R)-2-ethylpiperidine-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	7.21	-53.32	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

37083723

Analogs

19981613
19981299
19981237
19981241
19981601

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-3-carboxylic (3R)-1-[(2S)-2-ethylpiperidine-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	7.7	-52.13	0	5	-1	64	267.349	2	↓ MOL2 SDF SMILES Flexibase

4888509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(1-piperidylcarbonyl)-4-piperidyl]acetamide N-[1-(1-piperidylcarbonyl)-4-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	-2.71	-12.46	1	5	0	52	253.346	1	↓ MOL2 SDF SMILES Flexibase

62842656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-carbamoylpiperidine-1-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(4-carbamoylpiperidine-1-carbo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.00	3.5	-57.51	2	7	-1	107	296.347	2	↓ MOL2 SDF SMILES Flexibase

62842675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxylic 4-methyl-1-(4-methylpiperidine-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	7.42	-51.68	0	5	-1	64	267.349	1	↓ MOL2 SDF SMILES Flexibase

62842688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2R)-2-methylpiperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.74	7.35	-47.88	0	5	-1	64	267.349	1	↓ MOL2 SDF SMILES Flexibase

62842689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2S)-2-methylpiperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.74	7.27	-46.86	0	5	-1	64	267.349	1	↓ MOL2 SDF SMILES Flexibase

62842707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3R)-3-methylpiperidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3R)-3-methylpiperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	7.42	-51.4	0	5	-1	64	267.349	1	↓ MOL2 SDF SMILES Flexibase

62842708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3S)-3-methylpiperidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3S)-3-methylpiperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	7.52	-53.1	0	5	-1	64	267.349	1	↓ MOL2 SDF SMILES Flexibase

62842792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-carbamoylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-carbamoylpiperidine-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.00	3.52	-51.6	2	7	-1	107	296.347	2	↓ MOL2 SDF SMILES Flexibase

62842793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-carbamoylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-carbamoylpiperidine-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.00	3.49	-53.72	2	7	-1	107	296.347	2	↓ MOL2 SDF SMILES Flexibase

62842826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxypiperidine-1-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(4-hydroxypiperidine-1-carbony…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.47	3.51	-53.37	1	6	-1	84	269.321	1	↓ MOL2 SDF SMILES Flexibase

62842875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,6R)-2,6-dimethylpiperidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	7.32	-48.75	0	5	-1	64	281.376	1	↓ MOL2 SDF SMILES Flexibase

62842876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,6S)-2,6-dimethylpiperidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	7.83	-47.23	0	5	-1	64	281.376	1	↓ MOL2 SDF SMILES Flexibase

62842877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R,6R)-2,6-dimethylpiperidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	7.83	-48.2	0	5	-1	64	281.376	1	↓ MOL2 SDF SMILES Flexibase

62842889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S,5R)-3,5-dimethylpiperidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.12	7.99	-51.35	0	5	-1	64	281.376	1	↓ MOL2 SDF SMILES Flexibase

62842890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S,5S)-3,5-dimethylpiperidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.12	8.21	-47.66	0	5	-1	64	281.376	1	↓ MOL2 SDF SMILES Flexibase

62842891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R,5R)-3,5-dimethylpiperidin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.12	8.22	-47.79	0	5	-1	64	281.376	1	↓ MOL2 SDF SMILES Flexibase

62842929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-(2-hydroxyethyl)piperi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	4	-51.77	1	6	-1	84	297.375	3	↓ MOL2 SDF SMILES Flexibase

62842930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-(2-hydroxyethyl)piperi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.03	4.64	-55.68	1	6	-1	84	297.375	3	↓ MOL2 SDF SMILES Flexibase

62842988

Analogs

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Popular Name: 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[4-(hydroxymethyl)piperidine-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	4.14	-53.67	1	6	-1	84	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843063

Analogs

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Popular Name: 1-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-ethylpiperidine-1-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.63	-49.81	0	5	-1	64	281.376	2	↓ MOL2 SDF SMILES Flexibase

62843064

Analogs

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Popular Name: 1-[(2S)-2-ethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-ethylpiperidine-1-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	7.68	-50.94	0	5	-1	64	281.376	2	↓ MOL2 SDF SMILES Flexibase

62843116

Analogs

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Popular Name: 1-(4-methoxypiperidine-1-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(4-methoxypiperidine-1-carbony…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.14	5.86	-52.8	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-ethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-ethylpiperidine-1-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	7.92	-47.73	0	5	-1	64	281.376	2	↓ MOL2 SDF SMILES Flexibase

62843251

Analogs

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Popular Name: 1-[(3S)-3-ethylpiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-ethylpiperidine-1-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	8.06	-50.6	0	5	-1	64	281.376	2	↓ MOL2 SDF SMILES Flexibase

62843261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[4-(dimethylamino)piperidine-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	7.86	-75.87	1	6	0	68	297.399	2	↓ MOL2 SDF SMILES Flexibase

62843264

Analogs

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Popular Name: 1-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-(hydroxymethyl)piperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	4.16	-53.87	1	6	-1	84	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-(hydroxymethyl)piperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	4.12	-56.11	1	6	-1	84	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843363

Analogs

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Popular Name: 1-(4-ethoxypiperidine-1-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(4-ethoxypiperidine-1-carbonyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.52	6.77	-52.49	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62843388

Analogs

42430051

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-aminopiperidine-1-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(4-aminopiperidine-1-carbonyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.23	4.08	-85.78	3	6	0	91	269.345	1	↓ MOL2 SDF SMILES Flexibase

62843390

Analogs

42430374
42430375

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Popular Name: 1-[(3S)-3-aminopiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-aminopiperidine-1-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.23	4.12	-83.09	3	6	0	91	269.345	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.23	3.8	-50.02	2	6	-1	90	268.337	1	↓ MOL2 SDF SMILES Flexibase

62843391

Analogs

42430374
42430375

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-aminopiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-aminopiperidine-1-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.23	4.08	-83.51	3	6	0	91	269.345	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.23	3.76	-51.96	2	6	-1	90	268.337	1	↓ MOL2 SDF SMILES Flexibase

62843408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3R)-3-(methylaminom…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	6.74	-77.04	2	6	0	80	297.399	3	↓ MOL2 SDF SMILES Flexibase

62843409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3S)-3-(methylaminom…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	6.69	-71.65	2	6	0	80	297.399	3	↓ MOL2 SDF SMILES Flexibase

62843417

Analogs

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Popular Name: 1-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-(hydroxymethyl)piperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	4.83	-52.66	1	6	-1	84	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-(hydroxymethyl)piperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	5.58	-51.2	1	6	-1	84	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylpiperidine-1-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(4-ethylpiperidine-1-carbonyl)…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	8.09	-51	0	5	-1	64	281.376	2	↓ MOL2 SDF SMILES Flexibase

62843469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-hydroxypiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-hydroxypiperidine-1-ca…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	3.52	-49.85	1	6	-1	84	269.321	1	↓ MOL2 SDF SMILES Flexibase

62843470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-hydroxypiperidine-1-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-hydroxypiperidine-1-ca…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	3.49	-52.4	1	6	-1	84	269.321	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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